[N'-[3,4-bis(oxidanyl)phenyl]-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride

Systemtic Name: [N'-[3,4-bis(oxidanyl)phenyl]-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride Openeye Name: [N'-(3,4-dihydroxyphenyl)-N,N-diethyl-carbamimidoyl] N,N-diethylcarbamodithioate hydrochloride CAS Name: N,N-diethylcarbamodithioic acid [diethylamino-(3,4-dihydroxyphenyl)iminomethyl] ester hydrochloride IUPAC Name: [N'-(3,4-dihydroxyphenyl)-N,N-diethylcarbamimidoyl] N,N-diethylcarbamodithioate hydrochloride Traditional Name: N,N-diethylcarbamodithioic acid [N'-(3,4-dihydroxyphenyl)-N,N-diethyl-amidino] ester hydrochloride Formula: C16H26ClN3O2S2 MolecularWeight: 391.97954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=NC1=CC(=C(C=C1)O)O)SC(=S)N(CC)CC.Cl

Isomeric SMILES

CCN(CC)C(=NC1=CC(=C(C=C1)O)O)SC(=S)N(CC)CC.Cl

InChI

InChI=1S/C16H25N3O2S2.ClH/c1-5-18(6-2)15(23-16(22)19(7-3)8-4)17-12-9-10-13(20)14(21)11-12;/h9-11,20-21H,5-8H2,1-4H3;1H